UCSF

ZINC00396787

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2005 17 Yes

Popular Name: 4-(2,5-Dimethoxy-phenyl)-4-oxo-butyric acid 4-(2,5-Dimethoxy-phenyl)-4-oxo-b…

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CAS Number: 1084-74-8

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.29 5.37 -52.91 0 5 -1 76 237.231 6 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )